1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C26H29ClN8O2 — CID 56663315

IUPAC1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(N(C)C)cn23)n1
InChIInChI=1S/C26H29ClN8O2/c1-17(36)33-9-11-34(12-10-33)18-5-7-21(23(13-18)37-4)30-26-29-14-20(27)25(31-26)22-15-28-24-8-6-19(32(2)3)16-35(22)24/h5-8,13-16H,9-12H2,1-4H3,(H,29,30,31)
InChIKeyFQVBSUZPKJKZTD-UHFFFAOYSA-N
MW521.03 g/mol
LogP3.93
Rot. Bonds6

About 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56663315) has the molecular formula C26H29ClN8O2 and a molecular weight of 521.03 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56663315
Molecular FormulaC26H29ClN8O2
Molecular Weight521.03 g/mol
Exact Mass520.21
IUPAC Name1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(N(C)C)cn23)n1
InChIInChI=1S/C26H29ClN8O2/c1-17(36)33-9-11-34(12-10-33)18-5-7-21(23(13-18)37-4)30-26-29-14-20(27)25(31-26)22-15-28-24-8-6-19(32(2)3)16-35(22)24/h5-8,13-16H,9-12H2,1-4H3,(H,29,30,31)
InChIKeyFQVBSUZPKJKZTD-UHFFFAOYSA-N
XLogP3.93
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.03
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

AZ191
CID 72716071
1-[4-[4-[[5-Chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 68165399
N6-cyclohexyl-N2-(2-methoxy-4-piperazin-1-yl-phenyl)-9H-purine-2,6-diamine
CID 68452965
2-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-(4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenoxy)piperidin-1-yl)ethanone
CID 45380893
4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazine-1-carboxamide
CID 45381640
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
CID 53380818
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
1-[4-[4-[[5-Chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663313
1-(4-(4-(5-Chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 56663314
5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-(4-(2-(methylsulfonyl)ethyl)piperazin-1-yl)phenyl)pyrimidin-2-amine
CID 56663566
2-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carbonitrile
CID 56666509

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56663315) is 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(N(C)C)cn23)n1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is FQVBSUZPKJKZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O2/c1-17(36)33-9-11-34(12-10-33)18-5-7-21(23(13-18)37-4)30-26-29-14-20(27)25(31-26)22-15-28-24-8-6-19(32(2)3)16-35(22)24/h5-8,13-16H,9-12H2,1-4H3,(H,29,30,31).
What are the key properties of 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 521.03 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56663315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).